smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cccc(Cn2cc(C3CCN(Cc4cccc(C#N)c4)CC3)cn2)c1	ZINC000058327604	205172261	/nfs/dbraw/zinc/17/22/61/205172261.db2.gz	RPWFOIAIBBNNHP-UHFFFAOYSA-N	0	3	381.483	4.054	10	30		GIEEHN
CN1CCC[C@H]1CCNc1nc2ccc(NC(=N)c3cccs3)cc2s1	ZINC000083317892	523845918	/nfs/dbraw/zinc/84/59/18/523845918.db2.gz	DTHJEOKOWDOEHO-AWEZNQCLSA-N	0	3	385.562	4.291	10	30		GIEEHN
COc1cc2c(cc1OC)C(=O)/C(=C/C1=CCN(Cc3ccccc3)CC1)C2	ZINC000095079945	523022007	/nfs/dbraw/zinc/02/20/07/523022007.db2.gz	COHPXOXOTGQWNU-UDWIEESQSA-N	0	3	375.468	4.201	10	30		GIEEHN
COc1cc2c(cc1OC)C(=O)/C(=C\[C@@H]1C=CN(Cc3ccccc3)CC1)C2	ZINC000103534584	523022177	/nfs/dbraw/zinc/02/21/77/523022177.db2.gz	WLSNYMMGEMGEKW-SYERDGIWSA-N	0	3	375.468	4.405	10	30	in-vitro	GIEEHN
C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](OC(=O)OCC)c1ccnc2ccc(OC)cc21	ZINC000043721833	209095003	/nfs/dbraw/zinc/09/50/03/209095003.db2.gz	NSBRKSWSLRQPJW-LDHQQMMRSA-N	0	3	396.487	4.354	10	30		GIEEHN
CCCCCCCCOC[C@H](O)CNCc1ccc(Br)s1	ZINC000103323095	520041990	/nfs/dbraw/zinc/04/19/90/520041990.db2.gz	KUUXXRCTPSHEHK-CQSZACIVSA-N	0	3	378.376	4.338	10	30		GIEEHN
CCN(CC)CC#CC(C)(C)OC(=O)[C@](O)(c1ccccc1)C1CCCCC1	ZINC000005846274	520568244	/nfs/dbraw/zinc/56/82/44/520568244.db2.gz	DMEPDNFRHUGNPT-DEOSSOPVSA-N	0	3	385.548	4.122	10	30	in-man	GIEEHN
C=C[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](OC(=O)OCC)c1ccnc2ccc(OC)cc21	ZINC000002041225	570252416	/nfs/dbraw/zinc/25/24/16/570252416.db2.gz	NSBRKSWSLRQPJW-AJAKECSLSA-N	0	3	396.487	4.354	10	30	in-man	GIEEHN
CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(Cc1ccc(C#N)cc1)CC2	ZINC000275647676	570697694	/nfs/dbraw/zinc/69/76/94/570697694.db2.gz	KLTZMZISEPVSOL-NRFANRHFSA-N	0	3	379.529	4.023	10	30		GIEEHN
C=CCN1CCC2(CN(C(=O)c3cccc(F)c3F)c3ccc(F)cc32)CC1	ZINC000013982478	209165666	/nfs/dbraw/zinc/16/56/66/209165666.db2.gz	VLMWDVNSHVIKSV-UHFFFAOYSA-N	0	3	386.417	4.284	10	30		GIEEHN
CCN(CC)CC#CC(C)(C)OC(=O)[C@@](O)(c1ccccc1)C1CCCCC1	ZINC000003775048	520569060	/nfs/dbraw/zinc/56/90/60/520569060.db2.gz	DMEPDNFRHUGNPT-XMMPIXPASA-N	0	3	385.548	4.122	10	30	in-man	GIEEHN
CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(Cc1ccc(C#N)cc1)CC2	ZINC000275647677	570697954	/nfs/dbraw/zinc/69/79/54/570697954.db2.gz	KLTZMZISEPVSOL-OAQYLSRUSA-N	0	3	379.529	4.023	10	30		GIEEHN
COc1cc2c(cc1OC)C(=O)/C(=C\[C@H]1C=CN(Cc3ccccc3)CC1)C2	ZINC000103534577	523023039	/nfs/dbraw/zinc/02/30/39/523023039.db2.gz	WLSNYMMGEMGEKW-BRLDDBHUSA-N	0	3	375.468	4.405	10	30	in-vitro	GIEEHN
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC(=O)OCC)c1ccnc2ccc(OC)cc21	ZINC000003873877	212078585	/nfs/dbraw/zinc/07/85/85/212078585.db2.gz	NSBRKSWSLRQPJW-QDGJQWLKSA-N	0	3	396.487	4.354	10	30		GIEEHN
CCCCCCCCOC[C@@H](O)CNCc1ccc(Br)s1	ZINC000103323096	520041638	/nfs/dbraw/zinc/04/16/38/520041638.db2.gz	KUUXXRCTPSHEHK-AWEZNQCLSA-N	0	3	378.376	4.338	10	30		GIEEHN